Geometry & MOs

Info

ID:	348780
PubChem CID:	127273891
Reduced:	OSN6C18H20 (1)
Stoich.:	ABC6D18E20 (1)
Weight, g/mol:	372.136845
ΔH_f, kcal/mol:	42.36
Dipole, Da:	0.37
IP(EA), eV:	-8.99(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2=CC(=CC=C2)NC(=O)NC3CCC4=NC(=NN4C3)C

DOS

IR

Vibrations